4-(4-ethoxyphenyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-ethoxyphenyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-ethoxyphenyl)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-butanamide CAS Name: 4-(4-ethoxyphenyl)-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxobutanamide IUPAC Name: 4-(4-ethoxyphenyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxobutanamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-4-p-phenetyl-butyramide Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O4/c1-2-27-18-9-7-17(8-10-18)20(25)11-12-22(26)23-16-19(21-6-5-15-28-21)24-13-3-4-14-24/h5-10,15,19H,2-4,11-14,16H2,1H3,(H,23,26)/p+1/t19-/m1/s1